SCHEMBL3604418

SCHEMBL3604418

NCCc1ccc(O)c2[nH]c(=O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.52
ADRB1 P08588 4/20 0.52
DRD2 P14416 6/20 0.44
DRD4 P21917 5/20 0.44
DRD3 P35462 5/20 0.44
DRD1 P21728 2/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1246333 0.98 ADRB2 (0.51) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL245512 0.85 ADRB2 (0.53) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL12119031 0.81 ADRB2 (0.59) ADRB2ADRB1DRD2DRD4DRD3
Tyramine SCHEMBL10640694 0.81 ADRB2 (0.50) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL21517470 0.80 ADRB2 (0.61) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL4727443 0.78 ADRB2 (0.46) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL7281232 0.77 HTR2A (0.50) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL10641652 0.77 ADRB2 (0.52) ADRB2ADRB1DRD2DRD4DRD3
SCHEMBL11379691 0.77 DRD2 (0.56) ADRB2ADRB1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10643506 0.76 ADRB2 (0.51) ADRB2ADRB1DRD2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125052-B1 DOPAMINERGIC CARBOSTYRILS AND A PROCESS FOR PREPARING THEM SMITHKLINE BECKMAN CORPORATION (US) 1988-01-27 EP claimed
EP-0125052-A2 Dopaminergic carbostyrils and a process for preparing them SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP claimed
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
WO-2018011090-A1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 WO disclosed
WO-2017063564-A1 OCTAHYDROCYCLOPENTA[C]PYRROLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE 四川海思科制药有限公司 2017-04-20 WO disclosed
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-0125052-B1 DOPAMINERGIC CARBOSTYRILS AND A PROCESS FOR PREPARING THEM SMITHKLINE BECKMAN CORPORATION (US) 1988-01-27 EP disclosed
EP-0125052-A2 Dopaminergic carbostyrils and a process for preparing them SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B ADRB2 18/4885ADRB1 4/4885DRD2 23/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD2 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.